chempirical

5-Methylsalicylaldehyde

C8H8O2CAS 613-84-3136.15 g/mol

Open in Covalent MOL file
OHO
AldehydePhenol

Properties

Molecular formula
C8H8O2
Molar mass
136.15 g/mol
Exact mass
136.0524 Da
Melting point
56 °C
Boiling point
217.5 °C
logP
1.51Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
613-84-3
SMILES
Cc1ccc(O)c(C=O)c1
InChIKey
ILEIUTCVWLYZOM-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O2/c1-6-2-3-8(10)7(4-6)5-9/h2-5,10H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzaldehyde, 2-hydroxy-5-methyl-
  • 2,5-Cresotaldehyde
  • 2-Hydroxy-5-methylbenzaldehyde
  • 5-Methyl-2-hydroxybenzaldehyde
  • 2-Formyl-4-methylphenol
  • NSC 97517

Work with 5-Methylsalicylaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Hydroxy-4-methylbenzaldehyde698-27-175 % similar 2,5-Dihydroxybenzaldehyde1194-98-560 % similar 2,4-Dimethylbenzaldehyde15764-16-660 % similar 2,5-Dimethylbenzaldehyde5779-94-260 % similar Diformylcresol7310-95-457 % similar 5-Bromosalicylaldehyde1761-61-156 % similar 5-Iodosalicylaldehyde1761-62-256 % similar 5-Chlorosalicylaldehyde635-93-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Phenylacetic acid103-82-2 Benzyl formate104-57-4 2'-Hydroxyacetophenone104809-67-8 O-Toluic acid118-90-1 2′-Hydroxyacetophenone118-93-4 3-Hydroxyacetophenone121-71-1 Phenyl acetate122-79-2 4-Anisaldehyde123-11-5

Elsewhere

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